N-(5-chloro-2-methoxyphenyl)-2-(2-formylpyrrol-1-yl)propanamide

C15H15ClN2O3 — CID 82030885

IUPACN-(5-chloro-2-methoxyphenyl)-2-(2-formylpyrrol-1-yl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(C)n1cccc1C=O
InChIInChI=1S/C15H15ClN2O3/c1-10(18-7-3-4-12(18)9-19)15(20)17-13-8-11(16)5-6-14(13)21-2/h3-10H,1-2H3,(H,17,20)
InChIKeyBFJVVMCGLVUXOH-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.16
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-(2-formylpyrrol-1-yl)propanamide

N-(5-chloro-2-methoxyphenyl)-2-(2-formylpyrrol-1-yl)propanamide (PubChem CID 82030885) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(2-formylpyrrol-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(2-formylpyrrol-1-yl)propanamide
PubChem CID82030885
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(2-formylpyrrol-1-yl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(C)n1cccc1C=O
InChIInChI=1S/C15H15ClN2O3/c1-10(18-7-3-4-12(18)9-19)15(20)17-13-8-11(16)5-6-14(13)21-2/h3-10H,1-2H3,(H,17,20)
InChIKeyBFJVVMCGLVUXOH-UHFFFAOYSA-N
XLogP3.16
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-(5-chloro-2-methoxyphenyl)propanamide;hydrochloride
CID 119262144
3-(5-chloro-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550581
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide
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CID 4875488
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CID 51168044
(2R)-N-(5-chloro-2-methoxyphenyl)-2-methoxy-2-phenylacetamide
CID 815936
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide
CID 7466943
N-(5-amino-2-methoxyphenyl)-2-(2-cyanopyrrol-1-yl)propanamide
CID 114650260
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 1222422
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanamide
CID 7590323
N-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenoxy)propanamide
CID 3318555
[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] benzoate
CID 17419639

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(2-formylpyrrol-1-yl)propanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(2-formylpyrrol-1-yl)propanamide (CID 82030885) is N-(5-chloro-2-methoxyphenyl)-2-(2-formylpyrrol-1-yl)propanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(2-formylpyrrol-1-yl)propanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(2-formylpyrrol-1-yl)propanamide is COc1ccc(Cl)cc1NC(=O)C(C)n1cccc1C=O.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(2-formylpyrrol-1-yl)propanamide?
The InChIKey is BFJVVMCGLVUXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-10(18-7-3-4-12(18)9-19)15(20)17-13-8-11(16)5-6-14(13)21-2/h3-10H,1-2H3,(H,17,20).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(2-formylpyrrol-1-yl)propanamide?
N-(5-chloro-2-methoxyphenyl)-2-(2-formylpyrrol-1-yl)propanamide has a molecular weight of 306.75 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(2-formylpyrrol-1-yl)propanamide is sourced from PubChem (CID 82030885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).